Molecule

ID:79261

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉Cl₃N₄O
Molecular Mass
319.57436
Exact Mass
317.98419397
Charge
0
InChI
InChI=1S/C11H9Cl3N4O/c1-17(15)9-5-16-18(11(19)10(9)14)8-3-6(12)2-7(13)4-8/h2-5H,15H2,1H3
InChIKey
HJIICKHXJVAJIT-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)cc(c1)n1ncc(c(c1=O)Cl)N(N)C
Isomeric Smiles
n1(c2cc(cc(c2)Cl)Cl)c(=O)c(c(cn1)N(N)C)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.9223123
LogD (pH = 7.4)
2.0687435
Log P
2.0709703
Molar Refractivity
77.9197
Polarizability
28.79186
Polar Surface Area
61.93
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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